SCHEMBL2978424

SCHEMBL2978424

O=C(NCCNc1nsc2ccccc12)c1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.48
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 1/20 0.47
PPARD Q03181 1/20 0.45
CNR2 P34972 1/20 0.44
MGAM O43451 1/20 0.43
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
BCAT1 P54687 1/20 0.42
NAMPT P43490 1/20 0.41
HPGDS O60760 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2971278 0.88 MAP4K4 (0.50) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL2974074 0.81 HTR1A (0.51) DRD2HTR1AHTR2AALDH1A1MAPT
SCHEMBL2978429 0.80 ALDH1A1 (0.54) ALDH1A1MAPT
SCHEMBL2973242 0.79 MAPT (0.45) DRD2HTR1AHTR2AHDAC3HDAC1
SCHEMBL2976891 0.79 EPAS1 (0.52) DRD2HTR1AHTR2AMAPTKCNA3
SCHEMBL2979089 0.79 EPAS1 (0.52) DRD2HTR1AHTR2AMAPTKCNA3
SCHEMBL2977600 0.79 NAMPT (0.45) TNKSHDAC3HDAC1NAMPTALDH1A1
SCHEMBL2968393 0.78 KCNA3 (0.50) DRD2HTR1AHTR2AALDH1A1MAPT
SCHEMBL2966538 0.78 KMT2A (0.41) ALDH1A1MAPTKCNA3
SCHEMBL2973219 0.78 SIRT2 (0.47) ALDH1A1MAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS TNKS 2225/4885DRD2 4534/4885DRD3 4041/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.